[1-[1-(4-chlorophenyl)ethyl]-4-ethylpiperidin-2-yl]methanamine

C16H25ClN2 — CID 103351643

IUPAC[1-[1-(4-chlorophenyl)ethyl]-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(C(C)c2ccc(Cl)cc2)C(CN)C1
InChIInChI=1S/C16H25ClN2/c1-3-13-8-9-19(16(10-13)11-18)12(2)14-4-6-15(17)7-5-14/h4-7,12-13,16H,3,8-11,18H2,1-2H3
InChIKeyAKBXOZQOCIRMMS-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.85
Rot. Bonds4

About [1-[1-(4-chlorophenyl)ethyl]-4-ethylpiperidin-2-yl]methanamine

[1-[1-(4-chlorophenyl)ethyl]-4-ethylpiperidin-2-yl]methanamine (PubChem CID 103351643) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is [1-[1-(4-chlorophenyl)ethyl]-4-ethylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(4-chlorophenyl)ethyl]-4-ethylpiperidin-2-yl]methanamine
PubChem CID103351643
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name[1-[1-(4-chlorophenyl)ethyl]-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(C(C)c2ccc(Cl)cc2)C(CN)C1
InChIInChI=1S/C16H25ClN2/c1-3-13-8-9-19(16(10-13)11-18)12(2)14-4-6-15(17)7-5-14/h4-7,12-13,16H,3,8-11,18H2,1-2H3
InChIKeyAKBXOZQOCIRMMS-UHFFFAOYSA-N
XLogP3.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[1-(5-bromothiophen-2-yl)ethyl]-4-ethylpiperidin-2-yl]methanamine
CID 103352002
[1-[1-(3-chlorophenyl)propyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351682
[4-ethyl-1-[1-(4-methylphenyl)propyl]piperidin-2-yl]methanamine
CID 103351805
4-[1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propyl]phenol
CID 103351995
[4-ethyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine
CID 103351865
[4-ethyl-1-[1-(2-fluoro-6-methoxyphenyl)ethyl]piperidin-2-yl]methanamine
CID 103351675
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 103352351
1-(4-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
CID 55015385
(1-but-3-yn-2-yl-4-ethylpiperidin-2-yl)methanamine
CID 103353273
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4-chlorobenzonitrile
CID 103353808
[4-methyl-1-(1-pyridin-4-ylethyl)piperidin-2-yl]methanamine
CID 103440649
1-[1-[1-(4-chlorophenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316021

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-chlorophenyl)ethyl]-4-ethylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[1-(4-chlorophenyl)ethyl]-4-ethylpiperidin-2-yl]methanamine (CID 103351643) is [1-[1-(4-chlorophenyl)ethyl]-4-ethylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[1-(4-chlorophenyl)ethyl]-4-ethylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[1-(4-chlorophenyl)ethyl]-4-ethylpiperidin-2-yl]methanamine is CCC1CCN(C(C)c2ccc(Cl)cc2)C(CN)C1.
What is the InChIKey of [1-[1-(4-chlorophenyl)ethyl]-4-ethylpiperidin-2-yl]methanamine?
The InChIKey is AKBXOZQOCIRMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-3-13-8-9-19(16(10-13)11-18)12(2)14-4-6-15(17)7-5-14/h4-7,12-13,16H,3,8-11,18H2,1-2H3.
What are the key properties of [1-[1-(4-chlorophenyl)ethyl]-4-ethylpiperidin-2-yl]methanamine?
[1-[1-(4-chlorophenyl)ethyl]-4-ethylpiperidin-2-yl]methanamine has a molecular weight of 280.84 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-chlorophenyl)ethyl]-4-ethylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103351643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).